3,3,8-trifluoro-2,6-dimethyl-2,4-dihydrochromene

C11H11F3O — CID 58660511

IUPAC3,3,8-trifluoro-2,6-dimethyl-2,4-dihydrochromene
SMILESCc1cc(F)c2c(c1)CC(F)(F)C(C)O2
InChIInChI=1S/C11H11F3O/c1-6-3-8-5-11(13,14)7(2)15-10(8)9(12)4-6/h3-4,7H,5H2,1-2H3
InChIKeyHSAWWIMJSMWYAL-UHFFFAOYSA-N
MW216.20 g/mol
LogP3.09
Rot. Bonds

About 3,3,8-trifluoro-2,6-dimethyl-2,4-dihydrochromene

3,3,8-trifluoro-2,6-dimethyl-2,4-dihydrochromene (PubChem CID 58660511) has the molecular formula C11H11F3O and a molecular weight of 216.20 g/mol. Its IUPAC name is 3,3,8-trifluoro-2,6-dimethyl-2,4-dihydrochromene.

Molecular Properties

Compound Name3,3,8-trifluoro-2,6-dimethyl-2,4-dihydrochromene
PubChem CID58660511
Molecular FormulaC11H11F3O
Molecular Weight216.20 g/mol
Exact Mass216.08
IUPAC Name3,3,8-trifluoro-2,6-dimethyl-2,4-dihydrochromene
SMILESCc1cc(F)c2c(c1)CC(F)(F)C(C)O2
InChIInChI=1S/C11H11F3O/c1-6-3-8-5-11(13,14)7(2)15-10(8)9(12)4-6/h3-4,7H,5H2,1-2H3
InChIKeyHSAWWIMJSMWYAL-UHFFFAOYSA-N
XLogP3.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3,8-trifluoro-2,6-dimethyl-2,4-dihydrochromene?
The IUPAC name of 3,3,8-trifluoro-2,6-dimethyl-2,4-dihydrochromene (CID 58660511) is 3,3,8-trifluoro-2,6-dimethyl-2,4-dihydrochromene.
What is the SMILES notation for 3,3,8-trifluoro-2,6-dimethyl-2,4-dihydrochromene?
The canonical SMILES for 3,3,8-trifluoro-2,6-dimethyl-2,4-dihydrochromene is Cc1cc(F)c2c(c1)CC(F)(F)C(C)O2.
What is the InChIKey of 3,3,8-trifluoro-2,6-dimethyl-2,4-dihydrochromene?
The InChIKey is HSAWWIMJSMWYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O/c1-6-3-8-5-11(13,14)7(2)15-10(8)9(12)4-6/h3-4,7H,5H2,1-2H3.
What are the key properties of 3,3,8-trifluoro-2,6-dimethyl-2,4-dihydrochromene?
3,3,8-trifluoro-2,6-dimethyl-2,4-dihydrochromene has a molecular weight of 216.20 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,8-trifluoro-2,6-dimethyl-2,4-dihydrochromene is sourced from PubChem (CID 58660511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).